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
- 19879
- Core Entity Id
- 25277
- Source Entity Count
- 1
- Preferred Name
- Garciosaterpene b
- Name En
- Pubchem Id
- 6479440
- Smiles Canonical
- CC(CCC=C(C)C(=O)O)C1CCC2(C1=CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C
- Molecular Formula
- C30H48O3
- Molecular Weight
- 456.7110
- Inchikey
- GFLIQEABBVFGSA-VDKFYWIMSA-N
- Inchi
- InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-29(6)22(21)11-12-24-28(5)16-15-25(31)27(3,4)23(28)14-18-30(24,29)7/h10-11,19,21,23-25,31H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,23+,24+,25+,28+,29+,30+/m1/s1
- Isomeric Smiles
- C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@]2(C1=CC[C@@H]3[C@@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 7.3997
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Garciosaterpene B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Garciosaterpene b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Garciosaterpene b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
美丽藤黄
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MEI LI TENG HUANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Beautiful Garcinia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3beta,8alpha,9beta,14beta,24E)-3-Hydroxydammara-12,24-dien-26-oic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3beta,8alpha,9beta,14beta,24E)-3-Hydroxydammara-12,24-dien-26-oic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
(E,6R)-6-[(3S,5R,8S,9S,10R,14R,17R)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E,6R)-6-[(3S,5R,8S,9S,10R,14R,17R)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
美丽藤黄MEI LI TENG HUANGBeautiful Garcinia*(3beta,8alpha,9beta,14beta,24E)-3-Hydroxydammara-12,24-dien-26-oic acid(E,6R)-6-[(3S,5R,8S,9S,10R,14R,17R)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027356
Npass
NPC154712
Tcmid
8224
Pub Chem
6479440
Tcmbank
TCMBANKIN044199
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H48O3/c1-19(9-8-10-20(2)26(32)33)21-13-17-29(6)22(21)11-12-24-28(5)16-15-25(31)27(3,4)23(28)14-18-30(24,29)7/h10-11,19,21,23-25,31H,8-9,12-18H2,1-7H3,(H,32,33)/b20-10+/t19-,21-,23+,24+,25+,28+,29+,30+/m1/s1
Mol Wt
456.7110000000004
Mol Log P
7.399700000000009
In Ch Ikey
GFLIQEABBVFGSA-VDKFYWIMSA-N
Tcm Name
美丽藤黄
Tcm Name2
MEI LI TENG HUANG
Mol2 Path
/TCM_database/2007_3d_all/08225.mol2
Reference
5491
Num Hdonors
2
Tcm Name En
Beautiful Garcinia*
Drug Likeness
0.335
Num Hacceptors
2
Isomeric Smiles
C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1CC[C@]2(C1=CC[C@@H]3[C@@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C
Canonical Smiles
CC(CCC=C(C)C(=O)O)C1CCC2(C1=CCC3C2(CCC4C3(CCC(C4(C)C)O)C)C)C
Herb Alias Names
(3beta,8alpha,9beta,14beta,24E)-3-Hydroxydammara-12,24-dien-26-oic acid(E,6R)-6-[(3S,5R,8S,9S,10R,14R,17R)-3-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hept-2-enoic acid
Molecular Weight
456.7 g/mol
Molecular Formula
C30H48O3
Num Rotatable Bonds
5