Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 5Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18145
- Core Entity Id
- 23344
- Source Entity Count
- 1
- Preferred Name
- 15-kauren-17-ol
- Name En
- Pubchem Id
- 25199688
- Smiles Canonical
- CC1(CCCC2(C1CCC34C2CCC(C3)C(=C4)CO)C)C
- Molecular Formula
- C20H32O
- Molecular Weight
- 288.4750
- Inchikey
- BYNLGAZDLCEGRX-GTZPUNCASA-N
- Inchi
- InChI=1S/C20H32O/c1-18(2)8-4-9-19(3)16(18)7-10-20-11-14(5-6-17(19)20)15(12-20)13-21/h12,14,16-17,21H,4-11,13H2,1-3H3/t14-,16+,17-,19+,20?/m0/s1
- Isomeric Smiles
- C[C@@]12CCCC([C@H]1CCC34[C@H]2CC[C@@H](C3)C(=C4)CO)(C)C
- Cas Id
- 14696-33-4
- Ob Score
- 13.5925
- 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-Kaur-15-En-17-Ol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
15-kauren-17-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
15-kauren-17-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
15-kauren-17-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ent-Kaur-15-En-17-Ol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Ent-kaur-15-en-17-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ent-kaur-15-en-17-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
ent-Kaur-15-en-17-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
ent-kaur-15-en-17-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
浙贝母
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZHE BEI MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Thunberg Fritillary
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
((4R,9R,10S,13S)-5,5,9-trimethyl-14-tetracyclo(11.2.1.01,10.04,9)hexadec-14-enyl)methanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
14696-33-4
Role
alias
Source
TCMBank
Preferred
No
Name
14696-33-4
Role
alias
Source
HERB_v2
Preferred
No
Name
14696-33-4
Role
alias
Source
SymMap_v2
Preferred
No
Name
14696-33-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID501361658
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID501361658
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90932982
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90932982
Role
alias
Source
HERB_v2
Preferred
No
Name
Ent-kaur-15-en-17-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Ent-kaur-15-en-17-ol
Role
alias
Source
TCMBank
Preferred
No
Name
Kaur-15-en-17-ol
Role
alias
Source
TCMBank
Preferred
No
Name
Kaur-15-en-17-ol
Role
alias
Source
SymMap_v2
Preferred
No
Name
Kaur-15-en-17-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Kaur-15-en-17-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
[(4R,9R,10S,13S)-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methanol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Ent-Kaur-15-En-17-Ol浙贝母ZHE BEI MUThunberg Fritillary((4R,9R,10S,13S)-5,5,9-trimethyl-14-tetracyclo(11.2.1.01,10.04,9)hexadec-14-enyl)methanol14696-33-4DTXCID501361658DTXSID90932982Kaur-15-en-17-ol[(4R,9R,10S,13S)-5,5,9-trimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methanol
Cross References
Trusted external identifiers retained for this final record.
Cas
14696-33-4
Herb
HBIN001692HBIN025193
Tcmid
12177
Tcmsp
MOL009581
Sym Map
SMIT00767
Tcm Id
9296
Pub Chem
251996883082069
Tcmbank
TCMBANKIN015515TCMBANKIN040689
Etcm Ingredient
ent-kaur-15-en-17-ol
Itcmdb Generated
ITX-INGREDIENT-686778447546
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H32O/c1-18(2)8-4-9-19(3)16(18)7-10-20-11-14(5-6-17(19)20)15(12-20)13-21/h12,14,16-17,21H,4-11,13H2,1-3H3/t14-,16+,17-,19+,20?/m0/s1
Mol Wt
288.475
Cas Id
14696-33-4
Mol Log P
4.947800000000006
Version
v1,v2
In Ch Ikey
BYNLGAZDLCEGRX-GTZPUNCASA-N
Ob Score
13.592520613.59252113.593
Suppress
0
Tcm Name
浙贝母
Tcm Name2
ZHE BEI MU
Mol2 Path
/TCM_database/2007_3d_all/12181.mol2
Reference
660, 2182
Num Hdonors
1
Tcm Name En
Thunberg Fritillary
Drug Likeness
0.677
Num Hacceptors
1
Isomeric Smiles
C[C@@]12CCCC([C@H]1CCC34[C@H]2CC[C@@H](C3)C(=C4)CO)(C)C
Molecule Weight
288.52
Canonical Smiles
CC1(CCCC2(C1CCC34C2CCC(C3)C(=C4)CO)C)C
Molecular Weight
288.250
Molecular Weight
288.47
Molecule Formula
C20H32O
Molecular Formula
C20H32O
Molecular Formula
C20H32O
Molecular Formula
C20H32O
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.849
Quantitative Estimate Of Drug Likeness（Qed）
0.677