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: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8648
- Core Entity Id
- 12781
- Source Entity Count
- 1
- Preferred Name
- (+)-8,11,13,15-abietatetraene
- Name En
- Pubchem Id
- 21575445
- Smiles Canonical
- CC(=C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C)C
- Molecular Formula
- C20H28
- Molecular Weight
- 268.4440
- Inchikey
- IDIWSEBYUXIQLJ-AZUAARDMSA-N
- Inchi
- InChI=1S/C20H28/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13,18H,1,6,8,10-12H2,2-5H3/t18-,20+/m0/s1
- Isomeric Smiles
- CC(=C)C1=CC2=C(C=C1)[C@]3(CCCC([C@@H]3CC2)(C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 5.7499
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-8,11,13,15-Abietatetraene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(+)-8,11,13,15-abietatetraene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-8,11,13,15-abietatetraene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-8,11,13,15-abietatetraene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013516
Npass
NPC102507
Tcmid
4
Pub Chem
21575445
Tcmbank
TCMBANKIN045408
Etcm Ingredient
(+)-8,11,13,15-Abietatetraene
Itcmdb Generated
ITX-INGREDIENT-87A598C79087
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H28/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h7,9,13,18H,1,6,8,10-12H2,2-5H3/t18-,20+/m0/s1
Mol Wt
268.4439999999999
Smiles
CC(=C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C)C
Mol Log P
5.749900000000006
In Ch Ikey
IDIWSEBYUXIQLJ-AZUAARDMSA-N
Mol2 Path
/TCM_database/2007_3d_all/00004.mol2
Reference
4697
Num Hdonors
0
Drug Likeness
0.608
Num Hacceptors
0
Isomeric Smiles
CC(=C)C1=CC2=C(C=C1)[C@]3(CCCC([C@@H]3CC2)(C)C)C
Canonical Smiles
CC(=C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C)C
Molecular Weight
268.220
Molecular Weight
268.4 g/mol
Molecular Formula
C20H28
Molecular Formula
C20H28
Molecular Formula
C20H28
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.847
Quantitative Estimate Of Drug Likeness（Qed）
0.608