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
- 2977
- Core Entity Id
- 6497
- Source Entity Count
- 1
- Preferred Name
- 3,15-dihydroxy-18-norabieta-3,8,11,13-tetraene
- Name En
- Pubchem Id
- 10851908
- Smiles Canonical
- CC1=C(CCC2(C1CCC3=C2C=CC(=C3O)C(C)(C)O)C)O
- Molecular Formula
- C19H26O3
- Molecular Weight
- 302.4140
- Inchikey
- OHENPICHQPRBIJ-DJJJIMSYSA-N
- Inchi
- InChI=1S/C19H26O3/c1-11-13-6-5-12-14(19(13,4)10-9-16(11)20)7-8-15(17(12)21)18(2,3)22/h7-8,13,20-22H,5-6,9-10H2,1-4H3/t13-,19-/m0/s1
- Isomeric Smiles
- CC1=C(CC[C@]2([C@H]1CCC3=C2C=CC(=C3O)C(C)(C)O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 4.0655
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7330
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3,15-Dihydroxy-18-norabieta-3,8,11,13-tetraene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,15-dihydroxy-18-norabieta-3,8,11,13-tetraene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3,15-dihydroxy-18-norabieta-3,8,11,13-tetraene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
高梅缨瓣
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GAO MEI YING BAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Gaumei Fringe-petal*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
高梅缨瓣GAO MEI YING BANGaumei Fringe-petal*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006933
Tcmid
6048
Pub Chem
10851908
Tcmbank
TCMBANKIN042838
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H26O3/c1-11-13-6-5-12-14(19(13,4)10-9-16(11)20)7-8-15(17(12)21)18(2,3)22/h7-8,13,20-22H,5-6,9-10H2,1-4H3/t13-,19-/m0/s1
Mol Wt
302.414
Mol Log P
4.065500000000003
In Ch Ikey
OHENPICHQPRBIJ-DJJJIMSYSA-N
Tcm Name
高梅缨瓣
Tcm Name2
GAO MEI YING BAN
Mol2 Path
/TCM_database/2007_3d_all/06049.mol2
Reference
3969
Num Hdonors
3
Tcm Name En
Gaumei Fringe-petal*
Drug Likeness
0.733
Num Hacceptors
3
Isomeric Smiles
CC1=C(CC[C@]2([C@H]1CCC3=C2C=CC(=C3O)C(C)(C)O)C)O
Canonical Smiles
CC1=C(CCC2(C1CCC3=C2C=CC(=C3O)C(C)(C)O)C)O
Molecular Formula
C19H26O3
Num Rotatable Bonds
1