Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Meta-analysis: 1Target: 18Links: 31
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39939
- Core Entity Id
- 78036
- Source Entity Count
- 1
- Preferred Name
- Cam
- Name En
- Pubchem Id
- 15406
- Smiles Canonical
- CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2
- Molecular Formula
- C10H16O
- Molecular Weight
- 152.2370
- Inchikey
- DSSYKIVIOFKYAU-OIBJUYFYSA-N
- Inchi
- InChI=1S/C10H16O.C6H6O/c1-9(2)7-4-5-10(9,3)8(11)6-7;7-6-4-2-1-3-5-6/h7H,4-6H2,1-3H3;1-5,7H
- Isomeric Smiles
- CC1(C2CCC(C2)(C1O)C)C
- Cas Id
- 2217-02-09
- Ob Score
- 21.6810
- Mol Logp
- 2.1935
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5210
- Polar Surface Area
- 17.0700
- Molecular Volume
- 138.9100
- Alogp
- 2.0750
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+ )- Camphor
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(1R)-1,7,7-Trimethyl-Bicyclo[2.2.1]Heptan-2-One
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cam
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Endo-Fenchol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Fenchol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Fenchyl Alcohol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Zinc01850974
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(+)-camphor
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(+)-camphor
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(1R)-(+)-Camphor
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(1R)-1, 7, 7-trimethyl-bicyclo[2.2.1]heptan-2-one
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1R)-1,7,7-Trimethyl-Bicyclo[2.2.1]Heptan-2-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(1R)-1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(1r)-camphor
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(1r)-camphor
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(S)-Camphor
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(s)-camphor
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(s)-camphor
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Beta-fenchyl alcohol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Beta-fenchyl alcohol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Bicyclo[ 2.2.1] heptan-2-ol, 1, 3, 3-trimethyl
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Bicyclo[ 2.2.1] heptan-2-ol,1,3,3-trimethyl
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Bicyclo[ 2.2.1] heptan-2-ol,1,3,3-trimethyl
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cam
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cam
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cam
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Camphor
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Camphor
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Camphor
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Endo-Fenchol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Endo-fenchol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Endo-fenchol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Fenchol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Fenchol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Fenchol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Fenchyl Alcohol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Fenchyl alcohol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Fenchyl alcohol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lcamphor
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lcamphor
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lcamphor
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
ZINC01850974
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Zinc01850974
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Zinc01850974
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Zinc01850974
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
endo-fenchol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
endo-fenchol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
fenchol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
fenchyl alcohol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
一支蒿;砂仁(阳春砂);五脉百里香;艾菊;芸香叶蒿;黄花蒿;土砂仁;大良姜;生姜;胡荽子;樟木;冰片;连翘;白菖;枇杷;郁金;朝鲜大百里香*
Role
TCM_name
Source
TCMBank
Preferred
No
Name
岗松; 生姜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
胡荽
Role
TCM_name
Source
TCMBank
Preferred
No
Name
莪朮;荠菜;茵陈;青蒿;肉豆蔻
Role
TCM_name
Source
TCMBank
Preferred
No
Name
香附
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GANG SONG; SHENG JIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
YI ZHI HAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
广西莪朮Curcuma kwangsiensis;Artemisia scoparia
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
AIpine Yarrow
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Coriandrum sativum L.
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Curcuma;Capsella bursapastoris;Virgate wormwood herb;Artemisia annua;Myristica fragrans
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Northern Pitch Pine; Fresh Common Ginger
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
XIANH FU
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
()-Fenchol
Role
alias
Source
SymMap_v2
Preferred
No
Name
()-Fenchol
Role
alias
Source
TCMBank
Preferred
No
Name
(+)-Bornan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Bornan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Camphor
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Camphor
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Fenchol
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-Fenchol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Fenchol, analytical standard
Role
alias
Source
TCMBank
Preferred
No
Name
(+)-Fenchol, analytical standard
Role
alias
Source
SymMap_v2
Preferred
No
Name
(+)-beta-Fenchyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
(+/-)-alpha-Fenchol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+/-)-alpha-Fenchol
Role
alias
Source
HERB_v2
Preferred
No
Name
(+/-)-beta-Fenchyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-endo-Fenchol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R)-(+)-Camphor
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R)-(+)-Camphor
Role
alias
Source
TCMBank
Preferred
No
Name
(1R)-(+)-Camphor
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(1R)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R)-endo-(+)-Fenchyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R)-endo-(+)-Fenchyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R)-endo-(+)-Fenchyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R)-endo-(+)-Fenchyl alcohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(1R)-endo-(+)-Fenchyl alcohol, 96%
Role
alias
Source
SymMap_v2
Preferred
No
Name
(1R)-endo-(+)-Fenchyl alcohol, 96%
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,2R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,2R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,2R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R,2R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(1R,3R,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(1R,3R,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1R-Endo)-fenchol
Role
alias
Source
TCMBank
Preferred
No
Name
(1R-Endo)-fenchol
Role
alias
Source
HERB_v2
Preferred
No
Name
(1R-Endo)-fenchol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(1R-Endo)-fenchol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S)-(-)-Camphor
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S)-(-)-Camphor
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,2-endo)-1,3,3-trimethylnorbornan-2-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,2S,4R)-1,3,3-trimethyl-2-norbornanol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,2S,4R)-1,3,3-trimethylnorbornan-2-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,3R,4R)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
(1S,3R,4R)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,4R,6S)-1,5,5-trimethylbicyclo[2.2.1]heptan-6-ol
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,4S)-camphor
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,4S)-camphor
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-(+)-Camphor
Role
alias
Source
HERB_v2
Preferred
No
Name
(R)-(+)-Camphor
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,3-TRIMETHYL-2-NORBORNANOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,3-TRIMETHYL-2-NORBORNANOL
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
14575-74-7
Role
alias
Source
HERB_v2
Preferred
No
Name
14575-74-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
14575-74-7
Role
alias
Source
SymMap_v2
Preferred
No
Name
14575-74-7
Role
alias
Source
TCMBank
Preferred
No
Name
1632-73-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
1632-73-1
Role
alias
Source
HERB_v2
Preferred
No
Name
1632-73-1
Role
alias
Source
TCMBank
Preferred
No
Name
2-Bornanone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Bornanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Camphanone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Camphanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Fenchanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Fenchanol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Norbornanol, 1,3,3-trimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Norbornanol, 1,3,3-trimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Norbornanol, 1,3,3-trimethyl-, endo-
Role
alias
Source
TCMBank
Preferred
No
Name
2-Norbornanol, 1,3,3-trimethyl-, endo-
Role
alias
Source
SymMap_v2
Preferred
No
Name
2-Norbornanol, 1,3,3-trimethyl-, endo-
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Norbornanol, 1,3,3-trimethyl-, endo-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Norbornanol, 1,3,3-trimethyl-, exo-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Norbornanol, 1,3,3-trimethyl-, exo-
Role
alias
Source
HERB_v2
Preferred
No
Name
21368-68-3
Role
alias
Source
HERB_v2
Preferred
No
Name
21368-68-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
2217-02-09 00:00:00
Role
alias
Source
SymMap_v2
Preferred
No
Name
2217-02-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
2217-02-9
Role
alias
Source
HERB_v2
Preferred
No
Name
2217-02-9
Role
alias
Source
TCMBank
Preferred
No
Name
2217/2/9
Role
alias
Source
TCMBank
Preferred
No
Name
464-48-2
Role
alias
Source
HERB_v2
Preferred
No
Name
464-48-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
464-49-3
Role
alias
Source
HERB_v2
Preferred
No
Name
464-49-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
76-22-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
76-22-2
Role
alias
Source
HERB_v2
Preferred
No
Name
8002-06-0
Role
alias
Source
HERB_v2
Preferred
No
Name
8002-06-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L1UKL
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1L1UKL
Role
alias
Source
TCMBank
Preferred
No
Name
AC1OE1YY
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1OE1YY
Role
alias
Source
TCMBank
Preferred
No
Name
AC1Q2CCL
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1Q2CCL
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS028109357
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS028109357
Role
alias
Source
TCMBank
Preferred
No
Name
Alphanon
Role
alias
Source
HERB_v2
Preferred
No
Name
Alphanon
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ambap1632-73-1
Role
alias
Source
TCMBank
Preferred
No
Name
Ambap1632-73-1
Role
alias
Source
SymMap_v2
Preferred
No
Name
BB_NC-0098
Role
alias
Source
TCMBank
Preferred
No
Name
BG00600801
Role
alias
Source
TCMBank
Preferred
No
Name
BG00600801
Role
alias
Source
SymMap_v2
Preferred
No
Name
Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, endo-
Role
alias
Source
SymMap_v2
Preferred
No
Name
Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, endo-
Role
alias
Source
TCMBank
Preferred
No
Name
Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, mixt. with phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, mixt. with phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1R,2R,4S)-
Role
alias
Source
SymMap_v2
Preferred
No
Name
Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1R,2R,4S)-
Role
alias
Source
TCMBank
Preferred
No
Name
C02344
Role
alias
Source
TCMBank
Preferred
No
Name
CAS-2217-02-9
Role
alias
Source
TCMBank
Preferred
No
Name
CAS-2217-02-9
Role
alias
Source
SymMap_v2
Preferred
No
Name
CCRIS 9228
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 9228
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:15405
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL3188732
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEMBL3188732
Role
alias
Source
TCMBank
Preferred
No
Name
Campho-phenique
Role
alias
Source
itcmdb_public
Preferred
No
Name
Campho-phenique
Role
alias
Source
HERB_v2
Preferred
No
Name
Camphor, phenol drug combination
Role
alias
Source
itcmdb_public
Preferred
No
Name
Camphor, phenol drug combination
Role
alias
Source
HERB_v2
Preferred
No
Name
Camphor-phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
Camphor-phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Camphorated phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
Camphorated phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Carbol camphor
Role
alias
Source
HERB_v2
Preferred
No
Name
Carbol camphor
Role
alias
Source
itcmdb_public
Preferred
No
Name
D(+)-Camphor
Role
alias
Source
itcmdb_public
Preferred
No
Name
D-CAMPHOR
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Fenchol
Role
alias
Source
HERB_v2
Preferred
No
Name
D-Fenchol
Role
alias
Source
itcmdb_public
Preferred
No
Name
DL-Camphor
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-Camphor
Role
alias
Source
itcmdb_public
Preferred
No
Name
DSSTox_CID_24307
Role
alias
Source
SymMap_v2
Preferred
No
Name
DSSTox_CID_24307
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_GSID_44307
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_GSID_44307
Role
alias
Source
SymMap_v2
Preferred
No
Name
DSSTox_RID_80144
Role
alias
Source
TCMBank
Preferred
No
Name
DSSTox_RID_80144
Role
alias
Source
SymMap_v2
Preferred
No
Name
DTXSID6044307
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID6044307
Role
alias
Source
SymMap_v2
Preferred
No
Name
Dl-alpha-Fenchol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Dl-alpha-Fenchol
Role
alias
Source
TCMBank
Preferred
No
Name
Dl-beta-Fenchol
Role
alias
Source
HERB_v2
Preferred
No
Name
Dl-beta-Fenchol
Role
alias
Source
itcmdb_public
Preferred
No
Name
FEMA no. 2480, alpha-
Role
alias
Source
SymMap_v2
Preferred
No
Name
FEMA no. 2480, alpha-
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA no. 2480, beta-
Role
alias
Source
itcmdb_public
Preferred
No
Name
FEMA no. 2480, beta-
Role
alias
Source
HERB_v2
Preferred
No
Name
FENCHYL ALCOHOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
FENCHYL ALCOHOL
Role
alias
Source
TCMBank
Preferred
No
Name
FENCHYL ALCOHOL
Role
alias
Source
HERB_v2
Preferred
No
Name
FENCHYL ALCOHOL
Role
alias
Source
SymMap_v2
Preferred
No
Name
Fenchyl alcohol, >=96%
Role
alias
Source
TCMBank
Preferred
No
Name
Fenchyl alcohol, >=96%
Role
alias
Source
SymMap_v2
Preferred
No
Name
Fenchyl alcohol, >=96%, FG
Role
alias
Source
SymMap_v2
Preferred
No
Name
Fenchyl alcohol, >=96%, FG
Role
alias
Source
TCMBank
Preferred
No
Name
Fenchyl alcohol, analytical standard
Role
alias
Source
SymMap_v2
Preferred
No
Name
Fenchyl alcohol, analytical standard
Role
alias
Source
TCMBank
Preferred
No
Name
Fenchylalkohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Fenchylalkohol
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H
Role
alias
Source
TCMBank
Preferred
No
Name
J-014563
Role
alias
Source
SymMap_v2
Preferred
No
Name
J-014563
Role
alias
Source
TCMBank
Preferred
No
Name
L(-)-Camphor
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPR01020027
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00003760
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00003760
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00255994-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00255994-01
Role
alias
Source
SymMap_v2
Preferred
No
Name
OW0KEP592N
Role
alias
Source
TCMBank
Preferred
No
Name
OW0KEP592N
Role
alias
Source
HERB_v2
Preferred
No
Name
OW0KEP592N
Role
alias
Source
SymMap_v2
Preferred
No
Name
OW0KEP592N
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, camphorated
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, camphorated
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tox21_301348
Role
alias
Source
TCMBank
Preferred
No
Name
Tox21_301348
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-32Y92U27DU component IAIHUHQCLTYTSF-OYNCUSHFSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-32Y92U27DU component IAIHUHQCLTYTSF-OYNCUSHFSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-410Q2GK1HF component IAIHUHQCLTYTSF-OYNCUSHFSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-410Q2GK1HF component IAIHUHQCLTYTSF-OYNCUSHFSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-OW0KEP592N
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-OW0KEP592N
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-Y37DL02GI6
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-Y37DL02GI6
Role
alias
Source
itcmdb_public
Preferred
No
Name
Y37DL02GI6
Role
alias
Source
HERB_v2
Preferred
No
Name
Y37DL02GI6
Role
alias
Source
itcmdb_public
Preferred
No
Name
ZINC01081099
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC968128
Role
alias
Source
SymMap_v2
Preferred
No
Name
ZINC968128
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-Fenchol
Role
alias
Source
TCMBank
Preferred
No
Name
alpha-Fenchol
Role
alias
Source
SymMap_v2
Preferred
No
Name
alpha-Fenchyl alcohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
alpha-Fenchyl alcohol, (+)-
Role
alias
Source
TCMBank
Preferred
No
Name
beta-Fenchol
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-Fenchol
Role
alias
Source
HERB_v2
Preferred
No
Name
bmse000495
Role
alias
Source
TCMBank
Preferred
No
Name
bmse000495
Role
alias
Source
SymMap_v2
Preferred
No
Name
endo-alpha-fenchol
Role
alias
Source
TCMBank
Preferred
No
Name
exo-Fenchol
Role
alias
Source
itcmdb_public
Preferred
No
Name
exo-Fenchol
Role
alias
Source
HERB_v2
Preferred
No
Name
fenchylic alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
fenchylic alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
l-Camphor
Role
alias
Source
HERB_v2
Preferred
No
Name
phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
1.解表药(28-28)
Role
level1_name
Source
TCMBank
Preferred
No
Name
5.理气药(22-22)
Role
level1_name
Source
TCMBank
Preferred
No
Name
8.活血化瘀药(33-33)
Role
level1_name
Source
TCMBank
Preferred
No
Name
blood-activating and stasis-resolving medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
exterior-releasing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
qi-regulating medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.发散风寒药(16-16)
Role
level2_name
Source
TCMBank
Preferred
No
Name
4.破血消症药(6-6)
Role
level2_name
Source
TCMBank
Preferred
No
Name
blood-breaking mass-eliminating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
wind-cold-dispersing
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+ )- Camphor(1R)-1,7,7-Trimethyl-Bicyclo[2.2.1]Heptan-2-OneEndo-FencholFencholFenchyl AlcoholZinc01850974(+)-camphor(1R)-(+)-Camphor(1R)-1, 7, 7-trimethyl-bicyclo[2.2.1]heptan-2-one(1r)-camphor(S)-CamphorBeta-fenchyl alcoholBicyclo[ 2.2.1] heptan-2-ol, 1, 3, 3-trimethylBicyclo[ 2.2.1] heptan-2-ol,1,3,3-trimethylCamphorLcamphor一支蒿;砂仁(阳春砂);五脉百里香;艾菊;芸香叶蒿;黄花蒿;土砂仁;大良姜;生姜;胡荽子;樟木;冰片;连翘;白菖;枇杷;郁金;朝鲜大百里香*岗松; 生姜胡荽莪朮;荠菜;茵陈;青蒿;肉豆蔻香附GANG SONG; SHENG JIANGYI ZHI HAO广西莪朮Curcuma kwangsiensis;Artemisia scopariaAIpine YarrowCoriandrum sativum L.Curcuma;Capsella bursapastoris;Virgate wormwood herb;Artemisia annua;Myristica fragransNorthern Pitch Pine; Fresh Common GingerXIANH FU()-Fenchol(+)-Bornan-2-one(+)-Fenchol(+)-Fenchol, analytical standard(+)-beta-Fenchyl alcohol(+/-)-alpha-Fenchol(+/-)-beta-Fenchyl alcohol(-)-endo-Fenchol(1R)-1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol(1R)-endo-(+)-Fenchyl alcohol(1R)-endo-(+)-Fenchyl alcohol, 96%(1R,2R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol(1R,3R,4S)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one(1R-Endo)-fenchol(1S)-(-)-Camphor(1S,2-endo)-1,3,3-trimethylnorbornan-2-ol(1S,2S,4R)-1,3,3-trimethyl-2-norbornanol(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol(1S,2S,4R)-1,3,3-trimethylnorbornan-2-ol(1S,3R,4R)-2,2,4-trimethylbicyclo[2.2.1]heptan-3-ol(1S,4R,6S)-1,5,5-trimethylbicyclo[2.2.1]heptan-6-ol(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one(1S,4S)-camphor(R)-(+)-Camphor1,3,3-TRIMETHYL-2-NORBORNANOL1,3,3-Trimethylbicyclo[2.2.1]heptan-2-ol1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one14575-74-71632-73-12-Bornanone2-Camphanone2-Fenchanol2-Norbornanol, 1,3,3-trimethyl-2-Norbornanol, 1,3,3-trimethyl-, endo-2-Norbornanol, 1,3,3-trimethyl-, exo-21368-68-32217-02-09 00:00:002217-02-92217/2/9464-48-2464-49-376-22-28002-06-0AC1L1UKLAC1OE1YYAC1Q2CCLAKOS028109357AlphanonAmbap1632-73-1BB_NC-0098BG00600801Bicyclo(2.2.1)heptan-2-ol, 1,3,3-trimethyl-, endo-Bicyclo(2.2.1)heptan-2-one, 1,7,7-trimethyl-, mixt. with phenolBicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-Bicyclo[2.2.1]heptan-2-ol, 1,3,3-trimethyl-, (1R,2R,4S)-C02344CAS-2217-02-9CCRIS 9228CHEBI:15405CHEMBL3188732Campho-pheniqueCamphor, phenol drug combinationCamphor-phenolCamphorated phenolCarbol camphorD(+)-CamphorD-CAMPHORD-FencholDL-CamphorDSSTox_CID_24307DSSTox_GSID_44307DSSTox_RID_80144DTXSID6044307Dl-alpha-FencholDl-beta-FencholFEMA no. 2480, alpha-FEMA no. 2480, beta-Fenchyl alcohol, >=96%Fenchyl alcohol, >=96%, FGFenchyl alcohol, analytical standardFenchylalkoholInChI=1/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3HJ-014563L(-)-CamphorLMPR01020027MFCD00003760NCGC00255994-01OW0KEP592NPhenol, camphoratedTox21_301348UNII-32Y92U27DU component IAIHUHQCLTYTSF-OYNCUSHFSA-NUNII-410Q2GK1HF component IAIHUHQCLTYTSF-OYNCUSHFSA-NUNII-OW0KEP592NUNII-Y37DL02GI6Y37DL02GI6ZINC01081099ZINC968128alpha-Fencholalpha-Fenchyl alcoholalpha-Fenchyl alcohol, (+)-beta-Fencholbmse000495endo-alpha-fencholexo-Fencholfenchylic alcoholl-Camphorphenol1.解表药(28-28)5.理气药(22-22)8.活血化瘀药(33-33)blood-activating and stasis-resolving medicinalexterior-releasing medicinalqi-regulating medicinal1.发散风寒药(16-16)4.破血消症药(6-6)blood-breaking mass-eliminating medicinalwind-cold-dispersing
Cross References
Trusted external identifiers retained for this final record.
Cas
2217-02-9464-49-376-22-2
Hit
C0771C1209
Herb
HBIN001975HBIN003015HBIN003171HBIN005411HBIN018120HBIN018406HBIN019449HBIN019502HBIN019503HBIN025080HBIN026426HBIN026431HBIN032811HBIN043288HBIN048943
Npass
NPC100362NPC131981NPC150713NPC166553NPC173996NPC254102NPC29976NPC40249NPC54264
Tcmid
24881285963048328703580536606386864052941672420087751
Tcmsp
MOL000130MOL000669MOL002004MOL002458
Sym Map
SMIT01318SMIT02796SMIT03215SMIT04328SMIT04688SMIT15388SMIT18720SMIT19596SMIT19697SMIT23917
Tcm Id
1256512566125671256812569138571385814881148821488315732157331974119742197432193121932304643775993
Pub Chem
15406159055197100228313572537298439711444294595969736436997371917464909543187
Tcmbank
TCMBANKIN001249TCMBANKIN006364TCMBANKIN013288TCMBANKIN016060TCMBANKIN026160TCMBANKIN045362TCMBANKIN052092TCMBANKIN055319TCMBANKIN057804TCMBANKIN059526TCMBANKIN059532
Etcm Ingredient
(+)-camphor(-)-camphor(1R)-(+)-Camphor(1R)-1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-oneendo-fenchol
Itcmdb Generated
ITX-INGREDIENT-0795E32DD049ITX-INGREDIENT-0CE87BC0A095ITX-INGREDIENT-1BFD4CB2398DITX-INGREDIENT-2398B3075CB9ITX-INGREDIENT-2488407BF4D4ITX-INGREDIENT-382F09D8D1DBITX-INGREDIENT-47ED73347A6EITX-INGREDIENT-516A90DD2971ITX-INGREDIENT-62DE4621D199ITX-INGREDIENT-73BCBCF76A0AITX-INGREDIENT-810B811283FFITX-INGREDIENT-84D3936D8402ITX-INGREDIENT-A126BC1A49E4ITX-INGREDIENT-A4260038068EITX-INGREDIENT-B61A0D7234B5ITX-INGREDIENT-FFC2E783C9AF
Attributes
Merged source attributes and domain-specific metadata.
Ic
3.02716
Jx
2.316782.45158
Jy
2.346152.48151
Bic
0.818050.8444
Cic
0.43226
Phi
1.133091.25767
Sic
0.87504
Log D
2.0752.11
Sc 0
11
Sc 1
12
Sc 2
21
Type
Other ingredients
Alog P
2.0752.11
Chi 0
8.27602
Chi 1
4.966974.98299
Chi 2
5.51155.6368
In Ch I
InChI=1S/C10H16O.C6H6O/c1-9(2)7-4-5-10(9,3)8(11)6-7;7-6-4-2-1-3-5-6/h7H,4-6H2,1-3H3;1-5,7HInChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m0/s1InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3/t7-,8-,10+/m0/s1
Mol Wt
152.237154.253246.35
Pmi X
44.789645.386345.442545.889248.1007
Energy
117.3329.7148.8251.03
Sc 3 C
10
Sc 3 P
2931
Smiles
C([H])([H])([H])[C@]12C(C([H])([H])[H])(C([H])([H])[H])[C@]([H])(C([H])([H])C1([H])[H])C([H])([H])C2=OC1([H])([H])C([H])([H])[C@@]([H])(C(C([H])([H])[H])(C([H])([H])[H])[C@@]12C([H])([H])[H])C([H])([H])C2=OCC1(C2CCC(C2)(C1O)C)CCC1(C2CCC1(C(=O)C2)C)C[C@@]12(C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(C([H])([H])C1([H])[H])C([H])([H])C2=O[C@]1([H])(O[H])[C@@](C([H])([H])[C@]2([H])C1(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])C2([H])[H][C@]12([H])C([H])([H])[C@](C([H])([H])[H])(C([H])([H])C1([H])[H])[C@]([H])(O[H])C2(C([H])([H])[H])C([H])([H])[H]
Zagreb
66
37 Flag
37
Chi 3 C
1.803112.00194
Chi 3 P
4.990235.23045
Chi V 0
7.606917.72323
Chi V 1
4.51644.64782
Chi V 2
4.916695.31765
C Count
10
Kappa 1
7.63888
Kappa 2
1.83673
Kappa 3
0.665970.76099
Mol Log P
2.19352.4017000000000013.793900000000003
N Count
0
O Count
1
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2v2
Alog P Mr
44.49245.16
Chi 3 Ch
0
Dipole X
-0.02357-0.099180.025040.040670.29118
Dipole Y
-0.27776-0.290790.00440.074230.29943
Dipole Z
-0.29259-0.3301-0.510710.411260.50438
Iac Mean
1.124251.15417
In Ch Ikey
DSSYKIVIOFKYAU-OIBJUYFYSA-NDSSYKIVIOFKYAU-UHFFFAOYSA-NDSSYKIVIOFKYAU-XCBNKYQSSA-NIAIHUHQCLTYTSF-OYNCUSHFSA-NIAIHUHQCLTYTSF-QXFUBDJGSA-NIAIHUHQCLTYTSF-UHFFFAOYSA-NLKTOWUZQHJSGAK-UHFFFAOYSA-N
Is Chiral
0
Ob Score
21.68121.6810344721.681034; 67.17381367.1738128567.17476.42580176.4258011576.42678.8587778.858770278.859
Suppress
0
Tcm Name
一支蒿;砂仁(阳春砂);五脉百里香;艾菊;芸香叶蒿;黄花蒿;土砂仁;大良姜;生姜;胡荽子;樟木;冰片;连翘;白菖;枇杷;郁金;朝鲜大百里香*岗松; 生姜胡荽莪朮;荠菜;茵陈;青蒿;肉豆蔻香附
Admet Bbb
0.1690.214
Chi V 3 C
1.610791.92215
Chi V 3 P
4.19374.48276
Es Sum D O
011.573
Es Sum T N
0
E Adj Equ
125.404
E Adj Mag
226.477
Hba Count
01
Hbd Count
01
Iac Total
31.162732.6035
Jurs Rasa
0.851670.851770.852840.881690.89006
Jurs Rncg
0.493980.52656
Jurs Rncs
17.264418.618421.277421.489221.595
Jurs Rpcg
0.769851
Jurs Rpcs
0.929691.115631.301578.694949.90257
Jurs Rpsa
0.109930.11830.147150.148220.14832
Jurs Sasa
290.396293.481297.077298.224298.863
Jurs Tasa
247.323249.98253.361263.505265.437
Jurs Tpsa
32.786735.358243.072743.501343.7156
Num Atoms
11
Num Bonds
12
Num Rings
2
Shadow Xy
33.744833.831434.327534.401337.663
Shadow Xz
31.65531.892332.735133.030536.2605
Shadow Yz
26.893528.517231.193732.047832.3674
Shadow Nu
1.101281.238191.242541.276431.28052
Tcm Name2
GANG SONG; SHENG JIANGYI ZHI HAO广西莪朮Curcuma kwangsiensis;Artemisia scoparia
V Adj Equ
86.9518
V Adj Mag
110.039
Mol2 Path
/TCM_database/1.解表药(28-28)/1.发散风寒药(16-16)/胡荽/structure/camphor.mol2/TCM_database/2003_3d_all/1122.mol2/TCM_database/2003_3d_all/3058.mol2/TCM_database/5.理气药(22-22)/香附/structure/fenchol.mol2/TCM_database/8.活血化瘀药(33-33)/4.破血消症药(6-6)/莪朮/广西莪朮Curcuma kwangsiensis/Structure/camphor.mol2
Reference
1, 2, 658, 6602
Chi V 3 Ch
0
Dipole Mag
0.317720.440190.509340.582670.58277
Es Sum Aa N
0
Es Sum Aa O
0
Es Sum D Nh
0
Es Sum Dd C
0
Es Sum Ds N
0
Es Sum S Oh
010.006
Es Sum Ss O
0
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
7.326147.60093
Kappa 2 Am
1.701311.82008
Kappa 3 Am
0.604760.75246
Num Hdonors
01
Num Chains
4
Num Rings3
0
Num Rings4
0
Num Rings5
2
Num Rings6
0
Num Rings7
0
Num Rings8
0
Es Count D O
01
Es Count T N
0
Es Sum Aa Ch
0
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
0
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
0
Es Sum Dss C
00.512
Es Sum S Ch3
6.6726.674
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-221.802-225.371-229.449-278.419-281.473
Jurs Dpsa 3
23.928624.602924.848526.759727.5667
Jurs Fnsa 1
0.881890.883960.886170.966790.9709
Jurs Fnsa 2
-0.53385-0.5351-0.53644-0.71961-0.72267
Jurs Fnsa 3
-0.08068-0.08177-0.08203-0.08759-0.09036
Jurs Fpsa 1
0.029090.03320.113820.116030.1181
Jurs Fpsa 2
0.001880.002140.020560.020960.02134
Jurs Fpsa 3
0.001720.00180.001870.001880.00214
Jurs Pnsa 1
256.099259.426263.263288.321290.168
Jurs Pnsa 2
-155.026-157.04-159.362-214.603-215.978
Jurs Pnsa 3
-23.4281-24.0736-24.2905-26.1185-27.0038
Jurs Ppsa 1
33.813734.055234.29678.694949.90257
Jurs Ppsa 3
0.500540.529280.558030.562980.64117
Jurs Wnsa 1
74.3776.136578.209385.984486.7207
Jurs Wnsa 2
-45.0188-46.0881-47.3428-63.9997-64.5478
Jurs Wnsa 3
-6.80341-7.06516-7.21615-7.78918-8.07044
Jurs Wpsa 1
10.04522.598592.953189.959619.99455
Jurs Wpsa 3
0.145350.155330.165770.168250.19121
Num Pi Bonds
0
Tcm Name En
AIpine YarrowCoriandrum sativum L.Curcuma;Capsella bursapastoris;Virgate wormwood herb;Artemisia annua;Myristica fragransNorthern Pitch Pine; Fresh Common GingerXIANH FU
Level1 Name
1.解表药(28-28)5.理气药(22-22)8.活血化瘀药(33-33)
Level2 Name
1.发散风寒药(16-16)4.破血消症药(6-6)
Admet Psa 2 D
17.320.815
Es Count Aa N
0
Es Count Aa O
0
Es Count D Nh
0
Es Count Dd C
0
Es Count Ds N
0
Es Count S Oh
01
Es Count Ss O
0
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
3.2523.823
Es Sum Ss Nh2
0
Es Sum Sss Ch
0.680.718
Es Sum Sss Nh
0
Es Sum Ssss C
0.3070.445
Es Sum Ssss N
0
Nplus O Count
1
Num H Donors
01
Admet Alog P98
2.0752.11
Admet Ext Ppb
-0.42837-2.49113
Drug Likeness
0.5210.5670.756
Es Count Aa Ch
0
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
0
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
0
Es Count Dss C
01
Es Count S Ch3
3
Es Count S Nh2
0
Es Count S Nh3
0
Es Count Ss Nh
0
Es Count Sss N
0
Es Sum Sssss P
0
Num Hacceptors
12
Num Fragments
1
Num Hydrogens
1618
Num Ring Bonds
8
Organic Count
11
Rad Of Gyration
1.292131.321811.328041.333661.33739
Shadow Xyfrac
0.63230.641910.644490.650730.72072
Shadow Xzfrac
0.618040.641660.646960.685140.75675
Shadow Yzfrac
0.642060.6590.687780.750440.75222
Strain Energy
2.586.727.2388.45
Es Count Ss Ch2
3
Es Count Ss Nh2
0
Es Count Sss Ch
12
Es Count Sss Nh
0
Es Count Ssss C
2
Es Count Ssss N
0
Molecular Mass
152.12154.136
Molecular Sasa
305.688310.321
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
7.318747.538457.94787.964728.17511
Shadow Ylength
6.404636.637286.728667.097527.14021
Shadow Zlength
5.715426.410036.418856.473786.84514
Level1 Name En
blood-activating and stasis-resolving medicinalexterior-releasing medicinalqi-regulating medicinal
Level2 Name En
blood-breaking mass-eliminating medicinalwind-cold-dispersing
Admet Bbb Level
1
Isomeric Smiles
CC1(C2CCC(C2)(C1O)C)CCC1(C2CCC1(C(=O)C2)C)CCC1(C2CCC1(C(=O)C2)C)C.C1=CC=C(C=C1)OC[C@@]12CC[C@@H](C1(C)C)CC2=OC[C@@]12CC[C@@H](C1)C([C@@H]2O)(C)CC[C@@]12CC[C@@H](C1)C([C@H]2O)(C)CC[C@]12CC[C@H](C1(C)C)CC2=O
Molecular Savol
261.61263.392
Molecule Weight
152.235152.26154.28
Num Atom Classes
10
Num Bridge Bonds
8
Num H Acceptors
1
Num Repeat Units
0
Admet Ext Cyp2 D6
-3.5351-3.82841
Admet Solubility
-2.481-3.142
Canonical Smiles
CC1(C2CCC(C2)(C1O)C)CCC1(C2CCC1(C(=O)C2)C)CCC1(C2CCC1(C(=O)C2)C)C.C1=CC=C(C=C1)O
Herb Alias Names
D-CAMPHOR(+)-Camphor464-49-3(R)-(+)-Camphor(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one(R)-Camphor(1R)-(+)-Camphor(+)-Bornan-2-oneDL-CamphorD(+)-Camphor
Minimized Energy
27.1328.8841.5944.31
Molecular Weight
152.120154.140
Molecular Volume
138.91144.74145.08145.77147.83
Molecular Weight
152.23152.23 g/mol152.233154.249154.25 g/mol
Molecule Formula
C10H16OC10H18O
Num Macro Chains
0
Molecular Formula
C10H16OC10H18O
Molecular Formula
C10H16OC10H18O
Molecular Formula
C10H16OC10H18OC16H22O2
Num Rotatable Bonds
0
Num Aromatic Bonds
0
Num Aromatic Rings
0
Num Explicit Atoms
11
Num Explicit Bonds
12
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
1
Num Rotatable Bonds
0
Molecular Polar Sasa
43.490552.1529
Num Bridge Head Atoms
2
Num Chain Assemblies
3
Num Meso Stereo Atoms
0
Molecular Solubility
-2.352-2.413
Admet Ext Hepatotoxic
-4.41772-4.87876
Admet Unknown Alog P98
0
Molecular Surface Area
181.82188.61
Num Explicit Hydrogens
0
Num H Donors Lipinski
01
Num Pseudo Stereo Atoms
0
Admet Absorption Level
0
Admet Solubility Level
3
Admet Ext Ppb#Prediction
01
Num H Acceptors Lipinski
1
Molecular Polar Surface Area
17.0720.23
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.1420.168
Admet Ext Ppb Applicability#Md
7.020827.76803
Fda Maximum Daily Dose (Fdamdd)
0.1070.2600.4920.932
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
10.53639.60652
Admet Ext Ppb Applicability#Mdpvalue
0.9999981
Molecular Fractional Polar Surface Area
0.0930.107
Admet Ext Hepatotoxic Applicability#Md
5.428187.12194
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.0503610.199658
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.9926361
Quantitative Estimate Of Drug Likeness（Qed）
0.5210.567