Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 22533
- Core Entity Id
- 28231
- Source Entity Count
- 1
- Preferred Name
- Isocyperol
- Name En
- Pubchem Id
- 14076604
- Smiles Canonical
- CC(=C)C1CCC2(CCC(C(=C)C2C1)O)C
- Molecular Formula
- C15H24O
- Molecular Weight
- 220.3560
- Inchikey
- CZFHAODYOVXPIQ-BARDWOONSA-N
- Inchi
- InChI=1S/C15H24O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12-14,16H,1,3,5-9H2,2,4H3/t12-,13+,14-,15+/m1/s1
- Isomeric Smiles
- CC(=C)[C@@H]1CC[C@]2(CC[C@H](C(=C)[C@@H]2C1)O)C
- Cas Id
- Ob Score
- 22.0820
- Mol Logp
- 3.6960
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6680
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isocyperol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Isocyperol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Isocyperol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Isocyperol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Isocyperol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Isocyperol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
香附
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIANG FU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Nutgrass Galingale
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2R,4aS,7R,8aR)-4a-Methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalen-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,4aS,7R,8aR)-4a-Methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalen-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,4aS,7R,8aR)-4a-methyl-1-methylidene-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,4aS,7R,8aR)-4a-methyl-1-methylidene-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
20085-00-1
Role
alias
Source
HERB_v2
Preferred
No
Name
20085-00-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
C16974
Role
alias
Source
itcmdb_public
Preferred
No
Name
C16974
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:80836
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:80836
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL489542
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL489542
Role
alias
Source
SymMap_v2
Preferred
No
Name
CZFHAODYOVXPIQ-FFHGMXDLSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
CZFHAODYOVXPIQ-FFHGMXDLSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
DTXCID60506316
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID60506316
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30555533
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30555533
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isocyperol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Isocyperol
Role
alias
Source
TCMBank
Preferred
No
Name
Q27149877
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27149877
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
香附XIANG FUNutgrass Galingale(2R,4aS,7R,8aR)-4a-Methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalen-2-ol(2R,4aS,7R,8aR)-4a-methyl-1-methylidene-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol20085-00-1C16974CHEBI:80836CHEMBL489542CZFHAODYOVXPIQ-FFHGMXDLSA-NDTXCID60506316DTXSID30555533Q27149877
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN030642
Npass
NPC68656
Tcmid
11361
Tcmsp
MOL004052MOL009342
Sym Map
SMIT00548
Tcm Id
3448
Pub Chem
1407660444576209
Tcmbank
TCMBANKIN043081
Etcm Ingredient
Isocyperol
Itcmdb Generated
ITX-INGREDIENT-6B93209D1A48
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H24O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12-14,16H,1,3,5-9H2,2,4H3/t12-,13+,14-,15+/m1/s1
Mol Wt
220.356
Mol Log P
3.696000000000002
Version
v1,v2
In Ch Ikey
CZFHAODYOVXPIQ-BARDWOONSA-N
Ob Score
22.08222.08208122.08208107
Suppress
0
Tcm Name
香附
Tcm Name2
XIANG FU
Mol2 Path
/TCM_database/2007_3d_all/11364.mol2
Reference
6, 1521, 4655
Num Hdonors
1
Tcm Name En
Nutgrass Galingale
Drug Likeness
0.668
Num Hacceptors
1
Isomeric Smiles
CC(=C)[C@@H]1CC[C@]2(CC[C@H](C(=C)[C@@H]2C1)O)C
Molecule Weight
220.39
Canonical Smiles
CC(=C)C1CCC2(CCC(C(=C)C2C1)O)C
Herb Alias Names
20085-00-1DTXSID30555533(2R,4aS,7R,8aR)-4a-Methyl-1-methylidene-7-(prop-1-en-2-yl)decahydronaphthalen-2-ol(2R,4aS,7R,8aR)-4a-methyl-1-methylidene-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-olCHEBI:80836DTXCID60506316C16974Q27149877
Molecular Weight
220.180
Molecular Weight
220.35 g/mol
Molecule Formula
C15H24O
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.894
Quantitative Estimate Of Drug Likeness（Qed）
0.668