Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1819
- Core Entity Id
- 5210
- Source Entity Count
- 1
- Preferred Name
- (2e,6 e,10 e,14z)-17,20-dihydroxygeranylnerol
- Name En
- Pubchem Id
- 24066889
- Smiles Canonical
- CC(=CCCC(=CCO)CO)CCC=C(C)CCC=C(C)CO
- Molecular Formula
- C20H34O3
- Molecular Weight
- 322.4890
- Inchikey
- FXAGOBAZVGQRIS-CHDXHZAXSA-N
- Inchi
- InChI=1S/C20H34O3/c1-17(9-5-11-19(3)15-22)7-4-8-18(2)10-6-12-20(16-23)13-14-21/h7,10-11,13,21-23H,4-6,8-9,12,14-16H2,1-3H3/b17-7+,18-10+,19-11-,20-13+
- Isomeric Smiles
- C/C(=C\CC/C(=C\CO)/CO)/CC/C=C(\C)/CC/C=C(/C)\CO
- Cas Id
- Ob Score
- Mol Logp
- 4.0692
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 12
- Drug Likeness
- 0.4750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2E,6E,10E,14Z)-17,20-Dihydroxygeranylnerol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2e,6 e,10 e,14z)-17,20-dihydroxygeranylnerol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2e,6 e,10 e,14z)-17,20-dihydroxygeranylnerol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2e,6 e,10 e,14z)-17,20-dihydroxygeranylnerol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
ACon1_000030
Role
alias
Source
HERB_v2
Preferred
No
Name
ACon1_000030
Role
alias
Source
itcmdb_public
Preferred
No
Name
MEGxp0_000079
Role
alias
Source
HERB_v2
Preferred
No
Name
MEGxp0_000079
Role
alias
Source
itcmdb_public
Preferred
No
Name
NCGC00168860-01
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00168860-01
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2E,6E,10E,14Z)-17,20-DihydroxygeranylnerolACon1_000030MEGxp0_000079NCGC00168860-01
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005568
Tcmid
5897
Pub Chem
24066889
Tcmbank
TCMBANKIN017270
Etcm Ingredient
(2E,6E,10E,14Z)-17,20-Dihydroxygeranylnerol
Itcmdb Generated
ITX-INGREDIENT-6E2079598D10
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H34O3/c1-17(9-5-11-19(3)15-22)7-4-8-18(2)10-6-12-20(16-23)13-14-21/h7,10-11,13,21-23H,4-6,8-9,12,14-16H2,1-3H3/b17-7+,18-10+,19-11-,20-13+
Mol Wt
322.489
Smiles
CC(=CCCC(=CCO)CO)CCC=C(C)CCC=C(C)CO
Mol Log P
4.069200000000004
In Ch Ikey
FXAGOBAZVGQRIS-CHDXHZAXSA-N
Num Hdonors
3
Drug Likeness
0.475
Num Hacceptors
3
Isomeric Smiles
C/C(=C\CC/C(=C\CO)/CO)/CC/C=C(\C)/CC/C=C(/C)\CO
Canonical Smiles
CC(=CCCC(=CCO)CO)CCC=C(C)CCC=C(C)CO
Herb Alias Names
MEGxp0_000079ACon1_000030NCGC00168860-01
Molecular Weight
322.250
Molecular Formula
C20H34O3
Molecular Formula
C20H34O3
Molecular Formula
C20H34O3
Num Rotatable Bonds
12
Fda Maximum Daily Dose (Fdamdd)
0.930
Quantitative Estimate Of Drug Likeness（Qed）
0.475