Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21412
- Core Entity Id
- 26987
- Source Entity Count
- 1
- Preferred Name
- Ethol
- Name En
- Pubchem Id
- 2682
- Smiles Canonical
- CCCCCCCCCCCCCCCCO
- Molecular Formula
- C16H34O
- Molecular Weight
- 242.4470
- Inchikey
- BXWNKGSJHAJOGX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCCO
- Cas Id
- Ob Score
- 13.3229
- Mol Logp
- 5.4600
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 14
- Drug Likeness
- 0.4010
- Polar Surface Area
- 20.2300
- Molecular Volume
- 246.2700
- Alogp
- 6.4450
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Hexadecanol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Ethol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1-Hexadecanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-hexadecanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-hexadecanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-hexadecanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-hexadecanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ethol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ethol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ethol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ethol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Hexadecanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Hexadecanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Hexadecanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
当归
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Angelica sinensis
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
03884_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
1-Cetanol
Role
alias
Source
TCMBank
Preferred
No
Name
1-Cetanol
Role
alias
Source
SymMap_v2
Preferred
No
Name
1-E(R)AuIe (1/4)
Role
alias
Source
SymMap_v2
Preferred
No
Name
1-Hexadecanol
Role
alias
Source
SymMap_v2
Preferred
No
Name
1-Hexadecanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-Hexadecanol
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Hexadecanol
Role
alias
Source
TCMBank
Preferred
No
Name
1-Hexadecanol (Cetyl alcohol)
Role
alias
Source
SymMap_v2
Preferred
No
Name
1-Hexadecanol, 95%
Role
alias
Source
SymMap_v2
Preferred
No
Name
1-Hexadecanol, >=99%
Role
alias
Source
SymMap_v2
Preferred
No
Name
1-Hexadecanol, ReagentPlus(R), 99%
Role
alias
Source
SymMap_v2
Preferred
No
Name
1-Hexadecanol, Vetec(TM) reagent grade, 94%
Role
alias
Source
SymMap_v2
Preferred
No
Name
1-Hexadecyl alc
Role
alias
Source
TCMBank
Preferred
No
Name
1-Hexadecyl alc
Role
alias
Source
SymMap_v2
Preferred
No
Name
1-Hexadecyl alcohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
1-Hexadecyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
1-Hexanedecanol
Role
alias
Source
SymMap_v2
Preferred
No
Name
1-Hexanedecanol
Role
alias
Source
TCMBank
Preferred
No
Name
1-Hydroxyhexadecane
Role
alias
Source
SymMap_v2
Preferred
No
Name
1173838-87-3
Role
alias
Source
SymMap_v2
Preferred
No
Name
124-29-8
Role
alias
Source
SymMap_v2
Preferred
No
Name
124-29-8
Role
alias
Source
TCMBank
Preferred
No
Name
16-Hexadecanol
Role
alias
Source
SymMap_v2
Preferred
No
Name
16-Hexadecanol
Role
alias
Source
TCMBank
Preferred
No
Name
168679-13-8
Role
alias
Source
SymMap_v2
Preferred
No
Name
19141-82-3 (aluminum salt)
Role
alias
Source
SymMap_v2
Preferred
No
Name
258741_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
29354-98-1
Role
alias
Source
SymMap_v2
Preferred
No
Name
36311-34-9
Role
alias
Source
TCMBank
Preferred
No
Name
36653-82-4
Role
alias
Source
HERB_v2
Preferred
No
Name
36653-82-4
Role
alias
Source
TCMBank
Preferred
No
Name
36653-82-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
36653-82-4
Role
alias
Source
SymMap_v2
Preferred
No
Name
4-01-00-01876 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
4-01-00-01876 (Beilstein Handbook Reference)
Role
alias
Source
SymMap_v2
Preferred
No
Name
52238_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
55069-45-9
Role
alias
Source
TCMBank
Preferred
No
Name
55069-45-9
Role
alias
Source
SymMap_v2
Preferred
No
Name
68824_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
8014-51-5
Role
alias
Source
SymMap_v2
Preferred
No
Name
8014-51-5
Role
alias
Source
TCMBank
Preferred
No
Name
8023-37-8
Role
alias
Source
SymMap_v2
Preferred
No
Name
8023-37-8
Role
alias
Source
TCMBank
Preferred
No
Name
8032-16-4
Role
alias
Source
TCMBank
Preferred
No
Name
8032-16-4
Role
alias
Source
SymMap_v2
Preferred
No
Name
8032-17-5
Role
alias
Source
SymMap_v2
Preferred
No
Name
8032-17-5
Role
alias
Source
TCMBank
Preferred
No
Name
8032-89-1
Role
alias
Source
SymMap_v2
Preferred
No
Name
8032-89-1
Role
alias
Source
TCMBank
Preferred
No
Name
810F139F-C57E-4DF1-916A-A320AD0DAF4D
Role
alias
Source
SymMap_v2
Preferred
No
Name
936JST6JCN
Role
alias
Source
SymMap_v2
Preferred
No
Name
AB01566915_01
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1L1E85
Role
alias
Source
SymMap_v2
Preferred
No
Name
ACMC-1AJXA
Role
alias
Source
SymMap_v2
Preferred
No
Name
AI3-00755
Role
alias
Source
TCMBank
Preferred
No
Name
AI3-00755
Role
alias
Source
SymMap_v2
Preferred
No
Name
AIDS-471017
Role
alias
Source
TCMBank
Preferred
No
Name
AK-48193
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS005287456
Role
alias
Source
SymMap_v2
Preferred
No
Name
ANW-28459
Role
alias
Source
SymMap_v2
Preferred
No
Name
ARONIS25150
Role
alias
Source
SymMap_v2
Preferred
No
Name
Adol 52
Role
alias
Source
SymMap_v2
Preferred
No
Name
Adol 52
Role
alias
Source
TCMBank
Preferred
No
Name
Adol 52 NF
Role
alias
Source
SymMap_v2
Preferred
No
Name
Adol 520
Role
alias
Source
SymMap_v2
Preferred
No
Name
Adol 520
Role
alias
Source
TCMBank
Preferred
No
Name
Adol 52NF
Role
alias
Source
TCMBank
Preferred
No
Name
Adol 54
Role
alias
Source
TCMBank
Preferred
No
Name
Adol 54
Role
alias
Source
SymMap_v2
Preferred
No
Name
Alcohol C-16
Role
alias
Source
SymMap_v2
Preferred
No
Name
Alcohol C-16
Role
alias
Source
TCMBank
Preferred
No
Name
Alcohols, C14-18
Role
alias
Source
SymMap_v2
Preferred
No
Name
Aldol 54
Role
alias
Source
TCMBank
Preferred
No
Name
Aldol 54
Role
alias
Source
SymMap_v2
Preferred
No
Name
Alfol 16
Role
alias
Source
TCMBank
Preferred
No
Name
Alfol 16
Role
alias
Source
SymMap_v2
Preferred
No
Name
Alfol 16RD
Role
alias
Source
SymMap_v2
Preferred
No
Name
Atalco C
Role
alias
Source
TCMBank
Preferred
No
Name
Atalco C
Role
alias
Source
SymMap_v2
Preferred
No
Name
BRN 1748475
Role
alias
Source
SymMap_v2
Preferred
No
Name
BRN 1748475
Role
alias
Source
TCMBank
Preferred
No
Name
BXWNKGSJHAJOGX-UHFFFAOYSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
C00823
Role
alias
Source
TCMBank
Preferred
No
Name
C00823
Role
alias
Source
SymMap_v2
Preferred
No
Name
C16 alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
C16 alcohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
CAS-36653-82-4
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEBI:16125
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEBI:16125
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL706
Role
alias
Source
SymMap_v2
Preferred
No
Name
CO-1670
Role
alias
Source
TCMBank
Preferred
No
Name
CO-1670
Role
alias
Source
SymMap_v2
Preferred
No
Name
CO-1695
Role
alias
Source
TCMBank
Preferred
No
Name
CO-1695
Role
alias
Source
SymMap_v2
Preferred
No
Name
CS-D1348
Role
alias
Source
SymMap_v2
Preferred
No
Name
CTK1A6089
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cachalot C-50
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cachalot C-50
Role
alias
Source
TCMBank
Preferred
No
Name
Cachalot C-50 NF
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cachalot C-51
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cachalot C-51
Role
alias
Source
TCMBank
Preferred
No
Name
Cachalot C-52
Role
alias
Source
TCMBank
Preferred
No
Name
Cachalot C-52
Role
alias
Source
SymMap_v2
Preferred
No
Name
Caswell No. 165D
Role
alias
Source
SymMap_v2
Preferred
No
Name
Caswell No. 165D
Role
alias
Source
TCMBank
Preferred
No
Name
Ceraphyl ICA
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetaffine
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetaffine
Role
alias
Source
TCMBank
Preferred
No
Name
Cetal
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetal
Role
alias
Source
TCMBank
Preferred
No
Name
Cetalol CA
Role
alias
Source
TCMBank
Preferred
No
Name
Cetalol CA
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetanol
Role
alias
Source
HERB_v2
Preferred
No
Name
Cetanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cetanol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetanol
Role
alias
Source
TCMBank
Preferred
No
Name
Cetanol (JP15)
Role
alias
Source
TCMBank
Preferred
No
Name
Cetanol (JP17)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetanol (TN)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetanol (TN)
Role
alias
Source
TCMBank
Preferred
No
Name
Cetyl Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Cetyl alcohol (NF)
Role
alias
Source
TCMBank
Preferred
No
Name
Cetyl alcohol (hexadecanol)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetyl alcohol (hexadecanol)
Role
alias
Source
TCMBank
Preferred
No
Name
Cetyl alcohol NF
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetyl alcohol, European Pharmacopoeia (EP) Reference Standard
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetyl alcohol, SAJ special grade, >=98.0%
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetyl alcohol, Selectophore(TM), >=99.0%
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetyl alcohol, United States Pharmacopeia (USP) Reference Standard
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetyl alcohol, analytical standard
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetyl alcohol, puriss., 95.0%
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetyl alcohol, puriss., >=99.0% (GC)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetylalkohol
Role
alias
Source
TCMBank
Preferred
No
Name
Cetylalkohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetylic alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Cetylic alcohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetylol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Cetylol
Role
alias
Source
TCMBank
Preferred
No
Name
Crodacol C
Role
alias
Source
TCMBank
Preferred
No
Name
Crodacol C
Role
alias
Source
SymMap_v2
Preferred
No
Name
Crodacol C70
Role
alias
Source
SymMap_v2
Preferred
No
Name
Crodacol C95NF
Role
alias
Source
SymMap_v2
Preferred
No
Name
Crodacol-CAS
Role
alias
Source
SymMap_v2
Preferred
No
Name
Crodacol-CAS
Role
alias
Source
TCMBank
Preferred
No
Name
Crodacol-CAT
Role
alias
Source
SymMap_v2
Preferred
No
Name
Crodacol-CAT
Role
alias
Source
TCMBank
Preferred
No
Name
Cyclal cetyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Cyclal cetyl alcohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
D00099
Role
alias
Source
TCMBank
Preferred
No
Name
D00099
Role
alias
Source
SymMap_v2
Preferred
No
Name
DB09494
Role
alias
Source
SymMap_v2
Preferred
No
Name
DSSTox_CID_7991
Role
alias
Source
SymMap_v2
Preferred
No
Name
DSSTox_GSID_27991
Role
alias
Source
SymMap_v2
Preferred
No
Name
DSSTox_RID_78633
Role
alias
Source
SymMap_v2
Preferred
No
Name
DTXSID4027991
Role
alias
Source
SymMap_v2
Preferred
No
Name
Dehydag wax 16
Role
alias
Source
SymMap_v2
Preferred
No
Name
Dytol F-11
Role
alias
Source
SymMap_v2
Preferred
No
Name
Dytol F-11
Role
alias
Source
TCMBank
Preferred
No
Name
EC 253-149-0
Role
alias
Source
SymMap_v2
Preferred
No
Name
EINECS 252-964-9
Role
alias
Source
SymMap_v2
Preferred
No
Name
EINECS 252-964-9
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 253-149-0
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 253-149-0
Role
alias
Source
SymMap_v2
Preferred
No
Name
EN300-19351
Role
alias
Source
SymMap_v2
Preferred
No
Name
EPA Pesticide Chemical Code 001508
Role
alias
Source
TCMBank
Preferred
No
Name
EPA Pesticide Chemical Code 001508
Role
alias
Source
SymMap_v2
Preferred
No
Name
EPAL 16NF
Role
alias
Source
TCMBank
Preferred
No
Name
Elfacos C
Role
alias
Source
TCMBank
Preferred
No
Name
Elfacos C
Role
alias
Source
SymMap_v2
Preferred
No
Name
Epal 16
Role
alias
Source
SymMap_v2
Preferred
No
Name
Epal 16NF
Role
alias
Source
SymMap_v2
Preferred
No
Name
Ethal
Role
alias
Source
TCMBank
Preferred
No
Name
Ethal
Role
alias
Source
SymMap_v2
Preferred
No
Name
Ethol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Eutanol G16
Role
alias
Source
SymMap_v2
Preferred
No
Name
F0001-1047
Role
alias
Source
SymMap_v2
Preferred
No
Name
FEMA No. 2554
Role
alias
Source
SymMap_v2
Preferred
No
Name
FEMA No. 2554
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA Number 2554
Role
alias
Source
TCMBank
Preferred
No
Name
FEMA Number 2554
Role
alias
Source
SymMap_v2
Preferred
No
Name
FT-0701357
Role
alias
Source
SymMap_v2
Preferred
No
Name
FT-0707360
Role
alias
Source
SymMap_v2
Preferred
No
Name
Fancol CA
Role
alias
Source
SymMap_v2
Preferred
No
Name
Fatty alcohol(C16)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Fatty alcohol(C16)
Role
alias
Source
TCMBank
Preferred
No
Name
H6800_SIAL
Role
alias
Source
TCMBank
Preferred
No
Name
HEXADECANOL
Role
alias
Source
itcmdb_public
Preferred
No
Name
HEXADECANOL
Role
alias
Source
SymMap_v2
Preferred
No
Name
HEXADECANOL
Role
alias
Source
HERB_v2
Preferred
No
Name
HMS3652H05
Role
alias
Source
SymMap_v2
Preferred
No
Name
HSDB 2643
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 2643
Role
alias
Source
SymMap_v2
Preferred
No
Name
Hexadecan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
Hexadecan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexadecan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexadecan-1-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Hexadecanol
Role
alias
Source
TCMBank
Preferred
No
Name
Hexadecanol (VAN)
Role
alias
Source
SymMap_v2
Preferred
No
Name
Hexadecanol (VAN)
Role
alias
Source
TCMBank
Preferred
No
Name
Hexadecanol NF
Role
alias
Source
SymMap_v2
Preferred
No
Name
Hexadecyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexadecyl alcohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Hexadecyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Hexadecyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexadecyl alcohol, normal
Role
alias
Source
TCMBank
Preferred
No
Name
Hexadecyl alcohol, normal
Role
alias
Source
SymMap_v2
Preferred
No
Name
Hyfatol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Hyfatol
Role
alias
Source
TCMBank
Preferred
No
Name
Hyfatol 16
Role
alias
Source
SymMap_v2
Preferred
No
Name
Hyfatol 16
Role
alias
Source
TCMBank
Preferred
No
Name
Hyfatol 16-95
Role
alias
Source
SymMap_v2
Preferred
No
Name
I14-18880
Role
alias
Source
SymMap_v2
Preferred
No
Name
InChI=1/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H
Role
alias
Source
SymMap_v2
Preferred
No
Name
InChI=1/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H
Role
alias
Source
TCMBank
Preferred
No
Name
Isocetyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Isocetyl alcohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Isohexadecanol
Role
alias
Source
TCMBank
Preferred
No
Name
Isohexadecyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Isohexadecyl alcohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
KB-218917
Role
alias
Source
SymMap_v2
Preferred
No
Name
KS-00000V9G
Role
alias
Source
SymMap_v2
Preferred
No
Name
KS-0000472A
Role
alias
Source
SymMap_v2
Preferred
No
Name
KSC206A8T
Role
alias
Source
SymMap_v2
Preferred
No
Name
Kalcol 6098
Role
alias
Source
SymMap_v2
Preferred
No
Name
LMFA05000061
Role
alias
Source
SymMap_v2
Preferred
No
Name
LMFA05000061
Role
alias
Source
TCMBank
Preferred
No
Name
LS-2793
Role
alias
Source
SymMap_v2
Preferred
No
Name
Lanette 16
Role
alias
Source
SymMap_v2
Preferred
No
Name
Lanol C
Role
alias
Source
SymMap_v2
Preferred
No
Name
Lanol C
Role
alias
Source
TCMBank
Preferred
No
Name
Laurex 16
Role
alias
Source
SymMap_v2
Preferred
No
Name
Lipocol C
Role
alias
Source
SymMap_v2
Preferred
No
Name
Lorol 24
Role
alias
Source
SymMap_v2
Preferred
No
Name
Lorol 24
Role
alias
Source
TCMBank
Preferred
No
Name
Lorol C16
Role
alias
Source
SymMap_v2
Preferred
No
Name
LorolL 24
Role
alias
Source
SymMap_v2
Preferred
No
Name
Loxanol K
Role
alias
Source
SymMap_v2
Preferred
No
Name
Loxanol K
Role
alias
Source
TCMBank
Preferred
No
Name
Loxanol K extra
Role
alias
Source
SymMap_v2
Preferred
No
Name
Loxanol K extra
Role
alias
Source
TCMBank
Preferred
No
Name
Loxanwachs SK
Role
alias
Source
TCMBank
Preferred
No
Name
Loxanwachs SK
Role
alias
Source
SymMap_v2
Preferred
No
Name
Loxiol VPG 1743
Role
alias
Source
SymMap_v2
Preferred
No
Name
MCULE-9457426256
Role
alias
Source
SymMap_v2
Preferred
No
Name
MFCD00004760
Role
alias
Source
SymMap_v2
Preferred
No
Name
Michel XO-150-16
Role
alias
Source
SymMap_v2
Preferred
No
Name
MolPort-001-783-290
Role
alias
Source
SymMap_v2
Preferred
No
Name
N-Hexadecanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Hexadecanol
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Hexadecanol
Role
alias
Source
SymMap_v2
Preferred
No
Name
N-Hexadecanol
Role
alias
Source
TCMBank
Preferred
No
Name
N-Hexadecyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00159368-02
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00159368-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00159368-03
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00159368-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00159368-04
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00159368-04
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00159368-05
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00159368-06
Role
alias
Source
SymMap_v2
Preferred
No
Name
NCGC00254286-01
Role
alias
Source
SymMap_v2
Preferred
No
Name
NE10353
Role
alias
Source
SymMap_v2
Preferred
No
Name
NSC 4194
Role
alias
Source
SymMap_v2
Preferred
No
Name
NSC 4194
Role
alias
Source
TCMBank
Preferred
No
Name
Normal primary hexadecyl alcohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Normal primary hexadecyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Palmityl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Palmityl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
Palmityl alcohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Palmityl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
Philcohol 1600
Role
alias
Source
SymMap_v2
Preferred
No
Name
Product 308
Role
alias
Source
SymMap_v2
Preferred
No
Name
Product 308
Role
alias
Source
TCMBank
Preferred
No
Name
RTR-036616
Role
alias
Source
SymMap_v2
Preferred
No
Name
Rita CA
Role
alias
Source
SymMap_v2
Preferred
No
Name
SBB060167
Role
alias
Source
SymMap_v2
Preferred
No
Name
SC-18656
Role
alias
Source
SymMap_v2
Preferred
No
Name
SCHEMBL3381
Role
alias
Source
SymMap_v2
Preferred
No
Name
SR-01000944409
Role
alias
Source
SymMap_v2
Preferred
No
Name
SR-01000944409-1
Role
alias
Source
SymMap_v2
Preferred
No
Name
SSD (Salt/Mix)
Role
alias
Source
SymMap_v2
Preferred
No
Name
SSD RP
Role
alias
Source
SymMap_v2
Preferred
No
Name
SSD RP
Role
alias
Source
TCMBank
Preferred
No
Name
SSD RP (Salt/Mix)
Role
alias
Source
SymMap_v2
Preferred
No
Name
ST075158
Role
alias
Source
SymMap_v2
Preferred
No
Name
ST075158
Role
alias
Source
TCMBank
Preferred
No
Name
ST2415347
Role
alias
Source
SymMap_v2
Preferred
No
Name
STL283943
Role
alias
Source
SymMap_v2
Preferred
No
Name
Siponol CC
Role
alias
Source
TCMBank
Preferred
No
Name
Siponol CC
Role
alias
Source
SymMap_v2
Preferred
No
Name
Siponol wax-A
Role
alias
Source
SymMap_v2
Preferred
No
Name
Siponol wax-A
Role
alias
Source
TCMBank
Preferred
No
Name
TR-036616
Role
alias
Source
SymMap_v2
Preferred
No
Name
TRA0159983
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tox21_111609
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tox21_111609_1
Role
alias
Source
SymMap_v2
Preferred
No
Name
Tox21_300325
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-2DMT128M1S component BXWNKGSJHAJOGX-UHFFFAOYSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-936JST6JCN
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-B1K89384RJ component BXWNKGSJHAJOGX-UHFFFAOYSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
UNII-S4827SZE3L component BXWNKGSJHAJOGX-UHFFFAOYSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
W255408_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC8214519
Role
alias
Source
SymMap_v2
Preferred
No
Name
bmse000487
Role
alias
Source
SymMap_v2
Preferred
No
Name
cetyl alcohol
Role
alias
Source
HERB_v2
Preferred
No
Name
cetyl alcohol
Role
alias
Source
itcmdb_public
Preferred
No
Name
cetyl alcohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
n-1-Hexadecanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-1-Hexadecanol
Role
alias
Source
SymMap_v2
Preferred
No
Name
n-1-Hexadecanol
Role
alias
Source
TCMBank
Preferred
No
Name
n-1-Hexadecanol
Role
alias
Source
HERB_v2
Preferred
No
Name
n-Cetyl alcohol
Role
alias
Source
TCMBank
Preferred
No
Name
n-Cetyl alcohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
n-Hexadecan-1-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
n-Hexadecan-1-ol
Role
alias
Source
TCMBank
Preferred
No
Name
n-Hexadecyl alcohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
palmitic alcohol
Role
alias
Source
SymMap_v2
Preferred
No
Name
s4173
Role
alias
Source
SymMap_v2
Preferred
No
Name
xOemicro (1/4)
Role
alias
Source
SymMap_v2
Preferred
No
Name
13.补虚药(60-62)
Role
level1_name
Source
TCMBank
Preferred
No
Name
tonifying and replenishing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.补血药 (6-7)
Role
level2_name
Source
TCMBank
Preferred
No
Name
blood-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-HexadecanolHexadecanol当归Angelica sinensis03884_FLUKA1-Cetanol1-E(R)AuIe (1/4)1-Hexadecanol (Cetyl alcohol)1-Hexadecanol, 95%1-Hexadecanol, >=99%1-Hexadecanol, ReagentPlus(R), 99%1-Hexadecanol, Vetec(TM) reagent grade, 94%1-Hexadecyl alc1-Hexadecyl alcohol1-Hexanedecanol1-Hydroxyhexadecane1173838-87-3124-29-816-Hexadecanol168679-13-819141-82-3 (aluminum salt)258741_ALDRICH29354-98-136311-34-936653-82-44-01-00-01876 (Beilstein Handbook Reference)52238_FLUKA55069-45-968824_FLUKA8014-51-58023-37-88032-16-48032-17-58032-89-1810F139F-C57E-4DF1-916A-A320AD0DAF4D936JST6JCNAB01566915_01AC1L1E85ACMC-1AJXAAI3-00755AIDS-471017AK-48193AKOS005287456ANW-28459ARONIS25150Adol 52Adol 52 NFAdol 520Adol 52NFAdol 54Alcohol C-16Alcohols, C14-18Aldol 54Alfol 16Alfol 16RDAtalco CBRN 1748475BXWNKGSJHAJOGX-UHFFFAOYSA-NC00823C16 alcoholCAS-36653-82-4CHEBI:16125CHEMBL706CO-1670CO-1695CS-D1348CTK1A6089Cachalot C-50Cachalot C-50 NFCachalot C-51Cachalot C-52Caswell No. 165DCeraphyl ICACetaffineCetalCetalol CACetanolCetanol (JP15)Cetanol (JP17)Cetanol (TN)Cetyl Alcohol, Pharmaceutical Secondary Standard; Certified Reference MaterialCetyl alcoholCetyl alcohol (NF)Cetyl alcohol (hexadecanol)Cetyl alcohol NFCetyl alcohol, European Pharmacopoeia (EP) Reference StandardCetyl alcohol, SAJ special grade, >=98.0%Cetyl alcohol, Selectophore(TM), >=99.0%Cetyl alcohol, United States Pharmacopeia (USP) Reference StandardCetyl alcohol, analytical standardCetyl alcohol, puriss., 95.0%Cetyl alcohol, puriss., >=99.0% (GC)CetylalkoholCetylic alcoholCetylolCrodacol CCrodacol C70Crodacol C95NFCrodacol-CASCrodacol-CATCyclal cetyl alcoholD00099DB09494DSSTox_CID_7991DSSTox_GSID_27991DSSTox_RID_78633DTXSID4027991Dehydag wax 16Dytol F-11EC 253-149-0EINECS 252-964-9EINECS 253-149-0EN300-19351EPA Pesticide Chemical Code 001508EPAL 16NFElfacos CEpal 16EthalEutanol G16F0001-1047FEMA No. 2554FEMA Number 2554FT-0701357FT-0707360Fancol CAFatty alcohol(C16)H6800_SIALHMS3652H05HSDB 2643Hexadecan-1-olHexadecanol (VAN)Hexadecanol NFHexadecyl alcoholHexadecyl alcohol, normalHyfatolHyfatol 16Hyfatol 16-95I14-18880InChI=1/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1HIsocetyl alcoholIsohexadecanolIsohexadecyl alcoholKB-218917KS-00000V9GKS-0000472AKSC206A8TKalcol 6098LMFA05000061LS-2793Lanette 16Lanol CLaurex 16Lipocol CLorol 24Lorol C16LorolL 24Loxanol KLoxanol K extraLoxanwachs SKLoxiol VPG 1743MCULE-9457426256MFCD00004760Michel XO-150-16MolPort-001-783-290N-HexadecanolN-Hexadecyl alcoholNCGC00159368-02NCGC00159368-03NCGC00159368-04NCGC00159368-05NCGC00159368-06NCGC00254286-01NE10353NSC 4194Normal primary hexadecyl alcoholPalmityl alcoholPhilcohol 1600Product 308RTR-036616Rita CASBB060167SC-18656SCHEMBL3381SR-01000944409SR-01000944409-1SSD (Salt/Mix)SSD RPSSD RP (Salt/Mix)ST075158ST2415347STL283943Siponol CCSiponol wax-ATR-036616TRA0159983Tox21_111609Tox21_111609_1Tox21_300325UNII-2DMT128M1S component BXWNKGSJHAJOGX-UHFFFAOYSA-NUNII-936JST6JCNUNII-B1K89384RJ component BXWNKGSJHAJOGX-UHFFFAOYSA-NUNII-S4827SZE3L component BXWNKGSJHAJOGX-UHFFFAOYSA-NW255408_ALDRICHZINC8214519bmse000487n-1-Hexadecanoln-Cetyl alcoholn-Hexadecan-1-olpalmitic alcohols4173xOemicro (1/4)13.补虚药(60-62)tonifying and replenishing medicinal3.补血药 (6-7)blood-tonifying medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
36311-34-9
Herb
HBIN002579HBIN020171HBIN025841HBIN029281
Npass
NPC181516NPC216875
Tcmid
234642353932930
Tcmsp
MOL004791
Sym Map
SMIT06646SMIT18370SMIT18385
Tcm Id
3746
Pub Chem
26825283265
Tcmbank
TCMBANKIN026868TCMBANKIN029293TCMBANKIN061172
Drug Bank
DB09494
Etcm Ingredient
1-hexadecanol
Itcmdb Generated
ITX-INGREDIENT-39A405C7E655ITX-INGREDIENT-587B2A64A1FDITX-INGREDIENT-EFB389AA01BC
Attributes
Merged source attributes and domain-specific metadata.
Ic
1.02242
Jx
2.83103
Jy
2.85122
Bic
0.2556
Cic
3.06504
Phi
15.9224
Sic
0.25013
Log D
6.445
Sc 0
17
Sc 1
16
Sc 2
15
Type
Blood ingredients,Other ingredientsOther ingredients
Alog P
6.445
Chi 0
12.6066
Chi 1
8.41421
Chi 2
5.59619
In Ch I
InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
Mol Wt
242.4469999999999
Pmi X
7.0961
Energy
-0.94
Sc 3 C
0
Sc 3 P
14
Smiles
C([H])([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]CC(C)CCCCCCCCCCCCCOCCCCCCCCCCCCCCCCO
Zagreb
62
37 Flag
37
Chi 3 C
0
Chi 3 P
3.7071
Chi V 0
12.0538
Chi V 1
8.02333
Chi V 2
5.31979
C Count
16
Kappa 1
17
Kappa 2
16
Kappa 3
16
Mol Log P
5.460000000000006
N Count
0
O Count
1
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2
Alog P Mr
77.346
Chi 3 Ch
0
Dipole X
2.63834
Dipole Y
0.23397
Dipole Z
-0.00021
Iac Mean
1.02588
In Ch Ikey
BXWNKGSJHAJOGX-UHFFFAOYSA-N
Is Chiral
0
Ob Score
13.3229377913.32293813.323
Suppress
0
Tcm Name
当归
Admet Bbb
1.509
Chi V 3 C
0
Chi V 3 P
3.51166
Es Sum D O
0
Es Sum T N
0
E Adj Equ
133.433
E Adj Mag
147.207
Hba Count
0
Hbd Count
1
Iac Total
52.3199
Jurs Rasa
0.89939
Jurs Rncg
0.33437
Jurs Rncs
17.9137
Jurs Rpcg
1
Jurs Rpcs
36.4705
Jurs Rpsa
0.1006
Jurs Sasa
532.52
Jurs Tasa
478.946
Jurs Tpsa
53.5731
Num Atoms
17
Num Bonds
16
Num Rings
0
Shadow Xy
82.4076
Shadow Xz
67.2812
Shadow Yz
10.949
Shadow Nu
6.82954
V Adj Equ
145.108
V Adj Mag
160
Mol2 Path
/TCM_database/13.补虚药(60-62)/3.补血药 (6-7)/当归/structure/3D/1-hexadecanol.mol2
Chi V 3 Ch
0
Dipole Mag
2.6487
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
8.643
Es Sum Ss O
0
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
16.96
Kappa 2 Am
15.96
Kappa 3 Am
15.96
Num Hdonors
1
Num Chains
1
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
0
Num Rings7
0
Num Rings8
0
Es Count D O
0
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
0
Es Sum S Ch3
2.278
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-459.579
Jurs Dpsa 3
46.5867
Jurs Fnsa 1
0.93151
Jurs Fnsa 2
-1.10381
Jurs Fnsa 3
-0.08453
Jurs Fpsa 1
0.06848
Jurs Fpsa 2
0.00295
Jurs Fpsa 3
0.00295
Jurs Pnsa 1
496.049
Jurs Pnsa 2
-587.798
Jurs Pnsa 3
-45.012
Jurs Ppsa 1
36.4705
Jurs Ppsa 3
1.57475
Jurs Wnsa 1
264.156
Jurs Wnsa 2
-313.014
Jurs Wnsa 3
-23.9698
Jurs Wpsa 1
19.4212
Jurs Wpsa 3
0.83858
Num Pi Bonds
0
Tcm Name En
Angelica sinensis
Level1 Name
13.补虚药(60-62)
Level2 Name
3.补血药 (6-7)
Admet Psa 2 D
20.815
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
1
Es Count Ss O
0
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
19.578
Es Sum Ss Nh2
0
Es Sum Sss Ch
0
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
1
Num H Donors
1
Admet Alog P98
6.445
Admet Ext Ppb
1.03708
Drug Likeness
0.401
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
0
Es Count S Ch3
1
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
1
Num Fragments
1
Num Hydrogens
34
Num Ring Bonds
0
Organic Count
17
Rad Of Gyration
6.05572
Shadow Xyfrac
0.79858
Shadow Xzfrac
0.85185
Shadow Yzfrac
0.72463
Strain Energy
0.49
Es Count Ss Ch2
15
Es Count Ss Nh2
0
Es Count Sss Ch
0
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
242.261
Molecular Sasa
549.861
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
23.2253
Shadow Ylength
4.44307
Shadow Zlength
3.4007
Level1 Name En
tonifying and replenishing medicinal
Level2 Name En
blood-tonifying medicinal
Admet Bbb Level
0
Isomeric Smiles
CCCCCCCCCCCCCCCCO
Molecular Savol
462.943
Molecule Weight
242.5
Num Atom Classes
17
Num Bridge Bonds
0
Num H Acceptors
1
Num Repeat Units
0
Admet Ext Cyp2 D6
1.11702
Admet Solubility
-4.567
Canonical Smiles
CCCCCCCCCCCCCCCCO
Herb Alias Names
cetyl alcoholHexadecan-1-ol36653-82-4HEXADECANOLCetanolPalmityl alcoholHexadecyl alcoholN-Hexadecanoln-1-Hexadecanol
Minimized Energy
-1.43
Molecular Weight
242.260
Molecular Volume
246.27
Molecular Weight
242.44 g/mol242.441
Molecule Formula
C18H24O
Num Macro Chains
0
Molecular Formula
C16H34O
Molecular Formula
C16H34O
Molecular Formula
C16H34O
Num Rotatable Bonds
14
Num Aromatic Bonds
0
Num Aromatic Rings
0
Num Explicit Atoms
17
Num Explicit Bonds
16
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
0
Num Rotatable Bonds
14
Molecular Polar Sasa
52.1529
Num Bridge Head Atoms
0
Num Chain Assemblies
1
Num Meso Stereo Atoms
0
Molecular Solubility
-6.94
Admet Ext Hepatotoxic
-13.9569
Admet Unknown Alog P98
0
Molecular Surface Area
314.65
Num Explicit Hydrogens
0
Num H Donors Lipinski
1
Num Pseudo Stereo Atoms
0
Admet Absorption Level
1
Admet Solubility Level
2
Admet Ext Ppb#Prediction
1
Num H Acceptors Lipinski
1
Molecular Polar Surface Area
20.23
Admet Ext Cyp2 D6#Prediction
1
Molecular Fractional Polar Sasa
0.094
Admet Ext Ppb Applicability#Md
9.9506
Fda Maximum Daily Dose (Fdamdd)
0.013
Admet Ext Hepatotoxic#Prediction
0
Admet Ext Cyp2 D6 Applicability#Md
13.7102
Admet Ext Ppb Applicability#Mdpvalue
0.915653
Molecular Fractional Polar Surface Area
0.064
Admet Ext Hepatotoxic Applicability#Md
6.40412
Admet Ext Cyp2 D6 Applicability#Mdpvalue
5.4e-05
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.999776
Quantitative Estimate Of Drug Likeness（Qed）
0.401