Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18108
- Core Entity Id
- 23303
- Source Entity Count
- 1
- Preferred Name
- Ent-18-hydroxykaur-16-ene
- Name En
- Pubchem Id
- 101289732
- Smiles Canonical
- CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)CO
- Molecular Formula
- C20H32O
- Molecular Weight
- 288.4750
- Inchikey
- TUJQVRFWMWRMIO-DAUOMPHXSA-N
- Inchi
- InChI=1S/C20H32O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h15-17,21H,1,4-13H2,2-3H3/t15-,16-,17+,18-,19-,20-/m1/s1
- Isomeric Smiles
- C[C@@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4)C)CO
- Cas Id
- Ob Score
- Mol Logp
- 4.9478
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6770
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ent-18-hydroxykaur-16-ene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ent-18-hydroxykaur-16-ene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
ent-18-Hydroxykaur-16-ene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
ent-18-hydroxykaur-16-ene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-Kaur-16-en-18-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Kaur-16-en-18-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
Candol B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Candol B
Role
alias
Source
HERB_v2
Preferred
No
Name
ent-Kaur-16-en-19-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
ent-Kaur-16-en-19-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
ent-Kaurenol
Role
alias
Source
HERB_v2
Preferred
No
Name
ent-Kaurenol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Kaur-16-en-18-olCandol Bent-Kaur-16-en-19-olent-Kaurenol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025144
Npass
NPC121970
Tcmid
10281
Pub Chem
101289732
Tcmbank
TCMBANKIN025872
Etcm Ingredient
ent-18-Hydroxykaur-16-ene
Itcmdb Generated
ITX-INGREDIENT-9D615F6CE021
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H32O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h15-17,21H,1,4-13H2,2-3H3/t15-,16-,17+,18-,19-,20-/m1/s1
Mol Wt
288.475
Smiles
CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)CO
Mol Log P
4.947800000000006
In Ch Ikey
TUJQVRFWMWRMIO-DAUOMPHXSA-N
Num Hdonors
1
Drug Likeness
0.677
Num Hacceptors
1
Isomeric Smiles
C[C@@]1(CCC[C@@]2([C@@H]1CC[C@]34[C@H]2CC[C@H](C3)C(=C)C4)C)CO
Canonical Smiles
CC1(CCCC2(C1CCC34C2CCC(C3)C(=C)C4)C)CO
Herb Alias Names
ent-KaurenolCandol Bent-Kaur-16-en-19-ol(-)-Kaur-16-en-18-ol
Molecular Weight
288.250
Molecular Formula
C20H32O
Molecular Formula
C20H32O
Molecular Formula
C20H32O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.810
Quantitative Estimate Of Drug Likeness（Qed）
0.677